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Home > Indoles and Oxindole > 132477-69-1
132477-69-1 | 1H-Isoindol-1-one, 2,3-dihydro-3-hydroxy-2-(2-methylpropyl)-
CAS No: 132477-69-1 Catalog No: AG0010PS MDL No:
Product Description
Catalog Number:
AG0010PS
Chemical Name:
1H-Isoindol-1-one, 2,3-dihydro-3-hydroxy-2-(2-methylpropyl)-
CAS Number:
132477-69-1
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
IUPAC Name:
3-hydroxy-2-(2-methylpropyl)-3H-isoindol-1-one
InChI:
InChI=1S/C12H15NO2/c1-8(2)7-13-11(14)9-5-3-4-6-10(9)12(13)15/h3-6,8,11,14H,7H2,1-2H3
InChI Key:
RVQUYEXALIBNEG-UHFFFAOYSA-N
SMILES:
CC(CN1C(O)c2c(C1=O)cccc2)C
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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